3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide

C24H24ClFN2O4S — CID 55438061

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClFN2O4S/c1-3-28(16-18-5-4-6-21(26)13-18)24(29)19-9-12-22(32-2)23(14-19)33(30,31)27-15-17-7-10-20(25)11-8-17/h4-14,27H,3,15-16H2,1-2H3
InChIKeyXFZPXMYHJCOQPC-UHFFFAOYSA-N
MW490.98 g/mol
LogP4.63
Rot. Bonds9

About 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide

3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide (PubChem CID 55438061) has the molecular formula C24H24ClFN2O4S and a molecular weight of 490.98 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
PubChem CID55438061
Molecular FormulaC24H24ClFN2O4S
Molecular Weight490.98 g/mol
Exact Mass490.11
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClFN2O4S/c1-3-28(16-18-5-4-6-21(26)13-18)24(29)19-9-12-22(32-2)23(14-19)33(30,31)27-15-17-7-10-20(25)11-8-17/h4-14,27H,3,15-16H2,1-2H3
InChIKeyXFZPXMYHJCOQPC-UHFFFAOYSA-N
XLogP4.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.98
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
CID 55306794
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55584298
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55992810
3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55599647
4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide (CID 55438061) is 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide?
The InChIKey is XFZPXMYHJCOQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O4S/c1-3-28(16-18-5-4-6-21(26)13-18)24(29)19-9-12-22(32-2)23(14-19)33(30,31)27-15-17-7-10-20(25)11-8-17/h4-14,27H,3,15-16H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide has a molecular weight of 490.98 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 55438061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).